5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide

C15H13BrN2O3S — CID 9089633

IUPAC5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C15H13BrN2O3S/c1-9(19)12-6-7-13(22-12)15(21)17-8-14(20)18-11-5-3-2-4-10(11)16/h2-7H,8H2,1H3,(H,17,21)(H,18,20)
InChIKeyLEJDYZAFRDJYRB-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.08
Rot. Bonds5

About 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide

5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9089633) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9089633
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C15H13BrN2O3S/c1-9(19)12-6-7-13(22-12)15(21)17-8-14(20)18-11-5-3-2-4-10(11)16/h2-7H,8H2,1H3,(H,17,21)(H,18,20)
InChIKeyLEJDYZAFRDJYRB-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 30795869
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24681672
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 9089633) is 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCC(=O)Nc2ccccc2Br)s1.
What is the InChIKey of 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is LEJDYZAFRDJYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-9(19)12-6-7-13(22-12)15(21)17-8-14(20)18-11-5-3-2-4-10(11)16/h2-7H,8H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide?
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 381.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9089633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).